2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine

C95H74Br3ClN6O3 — CID 160684435

IUPAC2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
SMILESCc1c2c(-c3ccccc3)nc3cc(Br)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.Cc1cc(-c2ccc(Br)cc2N)c(C)cc1-c1ccccc1N.Cc1cc(-c2ccc(Br)cc2NC(=O)c2ccccc2)c(C)cc1-c1ccccc1NC(=O)c1ccccc1.O=C(Cl)c1ccccc1
InChIInChI=1S/C34H27BrN2O2.C34H23BrN2.C20H19BrN2.C7H5ClO/c1-22-20-30(28-18-17-26(35)21-32(28)37-34(39)25-13-7-4-8-14-25)23(2)19-29(22)27-15-9-10-16-31(27)36-33(38)24-11-5-3-6-12-24;1-20-29-25-15-9-10-16-27(25)36-33(22-11-5-3-6-12-22)31(29)21(2)30-26-18-17-24(35)19-28(26)37-34(32(20)30)23-13-7-4-8-14-23;1-12-10-18(16-8-7-14(21)11-20(16)23)13(2)9-17(12)15-5-3-4-6-19(15)22;8-7(9)6-4-2-1-3-5-6/h3-21H,1-2H3,(H,36,38)(H,37,39);3-19H,1-2H3;3-11H,22-23H2,1-2H3;1-5H
InChIKeyROONHSOMNWWEFL-UHFFFAOYSA-N
MW1622.84 g/mol
LogP26.34
Rot. Bonds11

About 2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine

2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine (PubChem CID 160684435) has the molecular formula C95H74Br3ClN6O3 and a molecular weight of 1622.84 g/mol. Its IUPAC name is 2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine.

Molecular Properties

Compound Name2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
PubChem CID160684435
Molecular FormulaC95H74Br3ClN6O3
Molecular Weight1622.84 g/mol
Exact Mass1618.31
IUPAC Name2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
SMILESCc1c2c(-c3ccccc3)nc3cc(Br)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.Cc1cc(-c2ccc(Br)cc2N)c(C)cc1-c1ccccc1N.Cc1cc(-c2ccc(Br)cc2NC(=O)c2ccccc2)c(C)cc1-c1ccccc1NC(=O)c1ccccc1.O=C(Cl)c1ccccc1
InChIInChI=1S/C34H27BrN2O2.C34H23BrN2.C20H19BrN2.C7H5ClO/c1-22-20-30(28-18-17-26(35)21-32(28)37-34(39)25-13-7-4-8-14-25)23(2)19-29(22)27-15-9-10-16-31(27)36-33(38)24-11-5-3-6-12-24;1-20-29-25-15-9-10-16-27(25)36-33(22-11-5-3-6-12-22)31(29)21(2)30-26-18-17-24(35)19-28(26)37-34(32(20)30)23-13-7-4-8-14-23;1-12-10-18(16-8-7-14(21)11-20(16)23)13(2)9-17(12)15-5-3-4-6-19(15)22;8-7(9)6-4-2-1-3-5-6/h3-21H,1-2H3,(H,36,38)(H,37,39);3-19H,1-2H3;3-11H,22-23H2,1-2H3;1-5H
InChIKeyROONHSOMNWWEFL-UHFFFAOYSA-N
XLogP26.34
TPSA153.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001622.84
LogP ≤ 526.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine with MolForge

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Related Compounds

6-bromo-N-[3-[3-[(6-bromoacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
CID 10509022
2-(4-bromophenyl)-8-methyl-N-phenylquinoline-4-carboxamide
CID 1738751
N-(3-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 3558402
N-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 5114038
2-bromo-N-(4-methylphenyl)-5,6,7,8-tetraphenylquinoline-4-carboxamide
CID 54577494
2-(4-bromophenyl)-6-methyl-N-phenylquinoline-4-carboxamide
CID 1738747
2-(4-bromophenyl)-6-methyl-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1738748
2-(4-bromophenyl)-8-methyl-N-(3-methylphenyl)quinoline-4-carboxamide
CID 1738753
2-(4-bromophenyl)-8-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 1738754
2-(4-bromophenyl)-N-(2,5-dimethylphenyl)-8-methylquinoline-4-carboxamide
CID 1738790
2-(4-bromophenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 1741025
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?
The IUPAC name of 2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine (CID 160684435) is 2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine.
What is the SMILES notation for 2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?
The canonical SMILES for 2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine is Cc1c2c(-c3ccccc3)nc3cc(Br)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.Cc1cc(-c2ccc(Br)cc2N)c(C)cc1-c1ccccc1N.Cc1cc(-c2ccc(Br)cc2NC(=O)c2ccccc2)c(C)cc1-c1ccccc1NC(=O)c1ccccc1.O=C(Cl)c1ccccc1.
What is the InChIKey of 2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?
The InChIKey is ROONHSOMNWWEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27BrN2O2.C34H23BrN2.C20H19BrN2.C7H5ClO/c1-22-20-30(28-18-17-26(35)21-32(28)37-34(39)25-13-7-4-8-14-25)23(2)19-29(22)27-15-9-10-16-31(27)36-33(38)24-11-5-3-6-12-24;1-20-29-25-15-9-10-16-27(25)36-33(22-11-5-3-6-12-22)31(29)21(2)30-26-18-17-24(35)19-28(26)37-34(32(20)30)23-13-7-4-8-14-23;1-12-10-18(16-8-7-14(21)11-20(16)23)13(2)9-17(12)15-5-3-4-6-19(15)22;8-7(9)6-4-2-1-3-5-6/h3-21H,1-2H3,(H,36,38)(H,37,39);3-19H,1-2H3;3-11H,22-23H2,1-2H3;1-5H.
What are the key properties of 2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?
2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine has a molecular weight of 1622.84 g/mol, XLogP of 26.34, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminophenyl)-2,5-dimethylphenyl]-5-bromoaniline;N-[2-[4-(2-benzamido-4-bromophenyl)-2,5-dimethylphenyl]phenyl]benzamide;benzoyl chloride;3-bromo-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine is sourced from PubChem (CID 160684435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).